Cas no 25384-75-2 (2-Methyl-2-propyl-1,3-propanediol carbamate ethylcarbamate)
25384-75-2 structure
Product Name:2-Methyl-2-propyl-1,3-propanediol carbamate ethylcarbamate
CAS No:25384-75-2
MF:C11H22N2O4
MW:246.303383350372
CID:266941
Update Time:2023-08-02
2-Methyl-2-propyl-1,3-propanediol carbamate ethylcarbamate Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid, ethyl-,2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester) (8CI)
- 2-[(Carbamoyloxy)methyl]-2-methylpentyl ethylcarbamate
- carbamic acid, N-ethyl-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester
- 2-Methyl-2-propyl-1,3-propanediol carbamate ethylcarbamate
- 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, ethylcarbamate
- 2-(Carbamoyloxymethyl)-2-methylpentyl=ethylcarbamate
-
- Inchi： 1S/C11H22N2O4/c1-4-6-11(3,7-16-9(12)14)8-17-10(15)13-5-2/h4-8H2,1-3H3,(H2,12,14)(H,13,15)
- InChI Key： LORFBSZZGKKTAK-UHFFFAOYSA-N
- SMILES： O(C(NCC)=O)CC(C)(COC(N)=O)CCC
- BRN： 1875971
Computed Properties
- Exact Mass: 246.157957
- Monoisotopic Mass: 246.157957
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 9
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 90.6
Experimental Properties
- Density: 1.072
- Boiling Point: 418.1°Cat760mmHg
- Flash Point: 206.7°C
- Refractive Index: 1.466
2-Methyl-2-propyl-1,3-propanediol carbamate ethylcarbamate Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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